(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Base Information

Chemical Name:(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS No.:41552-83-4
Molecular Formula:C17H25N5O4
Molecular Weight:363.41200
Hs Code.:
DSSTox Substance ID:DTXSID00332752
Nikkaji Number:J1.042.161F
Wikidata:Q82097557
ChEMBL ID:CHEMBL2113430
Mol file:41552-83-4.mol

Synonyms:41552-83-4;(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;CHEMBL2113430;(2R,3R,4S,5R)-2-(6-(Cycloheptylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;N-Cycloheptyladenosine;n6-cycloheptyladenosine;DTXSID00332752;BDBM50408666;(2R,3R,4S,5R)-2-[6-(cycloheptylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-Cycloheptylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol;(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Suppliers and Price of (2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of (2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property:

PSA：125.55000
LogP:0.64550
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:363.19065430
Heavy Atom Count:26
Complexity:464

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCC(CC1)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O
Isomeric SMILES:C1CCCC(CC1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

Technology Process of (2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

There total 5 articles about (2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 5452-35-7
cycloheptanamine

: 2004-06-0
6-Chloropurine riboside

: 41552-83-4
N6-Cycloheptyladenosine

Guidance literature:: In ethanol; for 12h; Reflux;
DOI:10.1021/acs.jmedchem.1c00874

Reference yield: 60.0%

: (2R,3R,4S,5R)-2-(2-Chloro-6-cycloheptylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol

: 41552-83-4
N6-Cycloheptyladenosine

Guidance literature:: With sodium hydroxide; hydrogen; 10percent Pd/C; In ethanol; for 24h; under 2327.23 Torr;
DOI:10.1021/jm9911231

Reference yield:

: 3056-18-6
(2R,3R,4R,5R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(2,6-dichloro-9H-purin-9-yl)tetrahydro-3-furanyl acetate

: 41552-83-4
N6-Cycloheptyladenosine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 4 h / 20 °C

1.2: 74 percent / NH₃ / methanol / 48 h / 20 °C

2.1: 60 percent / H₂; 2 N NaOH / 10percent Pd/C / ethanol / 24 h / 2327.23 Torr

With sodium hydroxide; hydrogen; 10percent Pd/C; In ethanol; 1.1: Condensation / 1.2: Deacetylation / 2.1: Catalytic hydrogenation;
DOI:10.1021/jm9911231